2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-
TL;DR: 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)- (CAS 5423-40-5) is a chemical compound with molecular formula C13H16N2O3S2 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid
Also Known As: USAF K-1563, 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-, 1-(3-Sulfophenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine, 3-(2-Mercapto-4,4,6-trimethyl-1 benzenesulfonicacid, Benzenesulfonic acid, 3-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-
| Molecular Formula | C13H16N2O3S2 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.3102 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.06024 |
| Heavy Atoms | 20 |
| Complexity | 693.32275 |
Chemical Identifiers
| CAS Number | 5423-40-5 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC(=CC=C2)S(=O)(=O)O)(C)C |
Product Overview
2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)- (CAS 5423-40-5), with molecular formula C13H16N2O3S2 and molecular weight 312.06 g/mol. IUPAC: 3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid.
Chemical Property Profile of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-
Property Insights of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-
The XLogP value of 2.3102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-?
The CAS number of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)- is 5423-40-5.
What is the molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-?
The molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)- is C13H16N2O3S2.
What is the molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-?
The molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)- is 312.06 g/mol.
Where can I buy 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-?
You can request a quote for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-sulfophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.